2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide

C14H24N2O2 — CID 46902923

IUPAC2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)N(C2CCCCC2)C[C@@H]1C
InChIInChI=1S/C14H24N2O2/c1-10-9-16(11-6-4-3-5-7-11)14(18)12(10)8-13(17)15-2/h10-12H,3-9H2,1-2H3,(H,15,17)/t10-,12+/m0/s1
InChIKeyHRNRJAPCCYRBIX-CMPLNLGQSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds3

About 2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide

2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 46902923) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID46902923
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1C(=O)N(C2CCCCC2)C[C@@H]1C
InChIInChI=1S/C14H24N2O2/c1-10-9-16(11-6-4-3-5-7-11)14(18)12(10)8-13(17)15-2/h10-12H,3-9H2,1-2H3,(H,15,17)/t10-,12+/m0/s1
InChIKeyHRNRJAPCCYRBIX-CMPLNLGQSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide (CID 46902923) is 2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide is CNC(=O)C[C@H]1C(=O)N(C2CCCCC2)C[C@@H]1C.
What is the InChIKey of 2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is HRNRJAPCCYRBIX-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-9-16(11-6-4-3-5-7-11)14(18)12(10)8-13(17)15-2/h10-12H,3-9H2,1-2H3,(H,15,17)/t10-,12+/m0/s1.
What are the key properties of 2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide?
2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 252.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-1-cyclohexyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 46902923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).